HMDB0254067 RDKit 3D Lewis b 91 94 0 0 0 0 0 0 0 0999 V2000 -0.8481 -6.1083 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -4.9996 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 -5.1677 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -3.7685 -0.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3219 -2.6210 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6317 -2.2476 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3578 -3.4334 -0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4603 -1.6934 -1.9089 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8689 -0.4508 -1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -0.2273 -3.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 -0.3401 -4.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 -0.2020 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9572 0.2817 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7804 1.5874 0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 2.4050 0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 2.6149 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 3.4748 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 3.3876 2.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3094 4.7785 2.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 3.0662 2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 3.8808 1.9218 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 1.6445 2.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.3518 2.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 -1.4482 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -1.2458 0.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 -1.4448 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -2.4979 1.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 -2.4650 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -3.6674 2.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -4.8658 2.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.2314 2.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -0.7132 2.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7687 -0.1458 2.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 1.0859 2.7788 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -0.1589 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -0.1899 0.3808 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 0.9219 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.6300 0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5458 2.5401 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 2.2167 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 2.8194 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5854 3.5950 -2.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 1.5122 -2.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 1.0748 -3.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 0.4323 -1.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 -0.0164 -2.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0647 -6.4271 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5407 -6.9515 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 -5.7233 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4219 -3.6718 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -2.8827 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 -1.6314 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 -4.0334 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 0.3132 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -0.9373 -2.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 0.7854 -2.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2896 -0.9782 -4.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 0.5888 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 1.9900 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1678 1.6292 1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 4.4140 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4353 2.9570 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 3.7850 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7479 3.1366 3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 4.9899 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4124 3.0661 3.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 4.3312 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1536 0.9302 2.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 2.1578 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 -1.7140 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 -1.7209 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -2.5898 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 -3.6679 3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -3.6477 3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0216 -4.8645 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -1.4116 3.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7432 -1.3894 2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 -0.3445 3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 1.0583 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 0.7087 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9991 1.5608 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 3.5141 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 2.8310 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 1.1313 -1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 2.4792 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 3.3936 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 4.3488 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 1.7212 -3.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 1.7635 -4.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 -0.4599 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 0.5106 -3.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 12 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 24 5 1 0 35 26 1 0 45 37 1 0 22 14 1 0 1 47 1 0 1 48 1 0 1 49 1 0 4 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 9 54 1 0 10 55 1 0 10 56 1 0 11 57 1 0 12 58 1 0 14 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 17 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 0 22 68 1 0 23 69 1 0 24 70 1 0 26 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 31 76 1 0 32 77 1 0 33 78 1 0 34 79 1 0 35 80 1 0 37 81 1 0 39 82 1 0 40 83 1 0 40 84 1 0 40 85 1 0 41 86 1 0 42 87 1 0 43 88 1 0 44 89 1 0 45 90 1 0 46 91 1 0 M END